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Taylor & Francis Ltd

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Review on DFT ab initio Calculations of Scalar Coupling Constants

By Alkorta Ibon   Elguero José  

International Journal of Molecular Sciences, Vol. 4, Iss. 3, 2003-02 ,pp. : 64-92

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Configurational and Conformational Properties of 1,3,7,9-Tetraphospha-Cyclododeca-1,2,7,8-tetraene: An Ab Initio Study and NBO Analysis

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Analysis of the Tautomeric Properties of 2-Formylcyclopentane-1,3-Dione Using the Data of IR Spectroscopy and Nonempirical (ab initio and DFT) Quantum-Chemical Calculations

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Journal of Applied Spectroscopy, Vol. 70, Iss. 1, 2003-01 ,pp. : 14-26

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Conformational study of internally retrograde and quasi-retrograde molecules — An ab initio and DFT study

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Canadian Journal of Chemistry, Vol. 83, Iss. 2, 2005-02 ,pp. : 122-137

NRC Research Press

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